Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_AlInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18347609 _cell_length_b 3.78445679 _cell_length_c 5.68920036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInPd2 _chemical_formula_sum 'Al1 In1 Pd2' _cell_volume 68.54193679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 2.51176677 1 In In1 1 1.59173805 1.89222840 4.43587254 1 Pd Pd2 1 0.00000000 0.00000000 5.61686889 1 Pd Pd3 1 1.59173805 1.89222840 1.65849276 1 [/CIF]
AlInPd2
Pmm2
25
orthorhombic
mm2
8,591.71532
false
[CIF] data_NaBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52629801 _cell_length_b 3.52629801 _cell_length_c 8.90853852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBi2P _chemical_formula_sum 'Na1 Bi2 P1' _cell_volume 110.77569573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 8.26123369 1 Bi Bi1 1 1.76314901 1.76314901 2.31173911 1 Na Na2 1 0.00000000 0.00000000 4.83200964 1 P P3 1 1.76314901 1.76314901 6.86636386 1 [/CIF]
Bi2NaP
P4mm
99
tetragonal
4mm
7,074.194239
false
[CIF] data_BeReRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25092942 _cell_length_b 8.25092942 _cell_length_c 8.25092942 _cell_angle_alpha 19.09179099 _cell_angle_beta 19.09179099 _cell_angle_gamma 19.09179099 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeReRu2 _chemical_formula_sum 'Be1 Re1 Ru2' _cell_volume 52.52340587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 -0.00000000 0.00000000 12.14735690 1 Ru Ru2 1 0.00000000 -0.00000000 18.06231458 1 Ru Ru3 1 0.00000000 0.00000000 6.23239922 1 [/CIF]
BeReRu2
R-3m
166
trigonal
-3m
12,562.598217
false
[CIF] data_YTaGaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74723552 _cell_length_b 4.74723552 _cell_length_c 4.74723552 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaGaW _chemical_formula_sum 'Y1 Ta1 Ga1 W1' _cell_volume 75.64972234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 3.35680243 3.35680243 3.35680243 1 W W2 1 1.67840121 1.67840121 1.67840122 1 Y Y3 1 5.03520365 5.03520365 5.03520365 1 [/CIF]
GaTaWY
F-43m
216
cubic
-43m
11,489.18861
false
[CIF] data_La4MgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35678622 _cell_length_b 6.35678622 _cell_length_c 6.35678622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4MgMo _chemical_formula_sum 'La4 Mg1 Mo1' _cell_volume 181.63428145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.38517456 3.38517456 5.60467872 1 La La1 1 3.38517456 5.60467872 3.38517456 1 La La2 1 5.60467872 3.38517456 3.38517456 1 La La3 1 5.60467872 5.60467872 5.60467872 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Mo Mo5 1 2.24746332 2.24746332 2.24746332 1 [/CIF]
La4MgMo
F-43m
216
cubic
-43m
6,179.100993
false
[CIF] data_NaAlZnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46136786 _cell_length_b 4.46136786 _cell_length_c 4.46136786 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlZnRh _chemical_formula_sum 'Na1 Al1 Zn1 Rh1' _cell_volume 62.78980093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.57733174 1.57733174 1.57733174 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 3.15466347 3.15466347 3.15466347 1 Zn Zn3 1 4.73199521 4.73199521 4.73199521 1 [/CIF]
AlNaRhZn
F-43m
216
cubic
-43m
5,772.019511
false
[CIF] data_SrZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00060399 _cell_length_b 4.00060399 _cell_length_c 4.94441722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnMo2 _chemical_formula_sum 'Sr1 Zn1 Mo2' _cell_volume 79.13456835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 2.00030200 2.47220861 1 Mo Mo1 1 2.00030200 0.00000000 2.47220861 1 Sr Sr2 1 2.00030200 2.00030200 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SrZn
P4/mmm
123
tetragonal
4/mmm
7,237.710987
false
[CIF] data_TaTiNiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47715275 _cell_length_b 4.47715275 _cell_length_c 4.47715275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiNiAg _chemical_formula_sum 'Ta1 Ti1 Ni1 Ag1' _cell_volume 63.45863665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.16582507 3.16582507 3.16582507 1 Ni Ni1 1 1.58291253 1.58291253 1.58291253 1 Ta Ta2 1 4.74873761 4.74873761 4.74873760 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNiTaTi
F-43m
216
cubic
-43m
10,345.92178
false
[CIF] data_Al2CrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93830384 _cell_length_b 4.93830384 _cell_length_c 4.93830384 _cell_angle_alpha 145.11718072 _cell_angle_beta 131.02730560 _cell_angle_gamma 61.52716577 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CrCo _chemical_formula_sum 'Al2 Cr1 Co1' _cell_volume 51.42346065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.48015967 0.00000000 4.18088420 1 Al Al1 1 0.00000000 -0.00000000 6.51397912 1 Co Co2 1 1.48015967 -0.00000000 0.05535216 1 Cr Cr3 1 0.00000000 0.00000000 1.98001840 1 [/CIF]
Al2CoCr
Imm2
44
orthorhombic
mm2
5,324.654403
false
[CIF] data_FeP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51166616 _cell_length_b 9.51166616 _cell_length_c 9.51166616 _cell_angle_alpha 158.93210092 _cell_angle_beta 158.93210092 _cell_angle_gamma 29.96735262 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeP3 _chemical_formula_sum 'Fe2 P6' _cell_volume 111.13352652 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 0.00000000 5.94319766 1 Fe Fe1 1 0.00000000 -0.00000000 12.43333232 1 P P2 1 0.00000000 1.73890476 -0.00000000 1 P P3 1 1.73890476 -0.00000000 -0.00000000 1 P P4 1 0.00000000 1.73890476 4.59413250 1 P P5 1 1.73890476 -0.00000000 4.59413249 1 P P6 1 0.00000000 -0.00000000 1.89431703 1 P P7 1 0.00000000 -0.00000000 16.48221295 1 [/CIF]
Fe2P6
I4/mmm
139
tetragonal
4/mmm
4,445.683268
false
[CIF] data_Ti2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37827515 _cell_length_b 4.37827515 _cell_length_c 4.37827515 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2RuRh _chemical_formula_sum 'Ti2 Ru1 Rh1' _cell_volume 59.34636950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 3.09590805 3.09590805 3.09590805 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.54795403 1.54795403 1.54795403 1 Ti Ti3 1 4.64386208 4.64386208 4.64386208 1 [/CIF]
RhRuTi2
Fm-3m
225
cubic
m-3m
8,386.217277
false
[CIF] data_MnAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19966484 _cell_length_b 4.19966484 _cell_length_c 2.97503484 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAl2Rh _chemical_formula_sum 'Mn1 Al2 Rh1' _cell_volume 52.47123917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.09983242 0.00000000 1.48751742 1 Al Al1 1 0.00000000 2.09983242 1.48751742 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 2.09983242 2.09983242 0.00000000 1 [/CIF]
Al2MnRh
P4/mmm
123
tetragonal
4/mmm
6,702.970548
false
[CIF] data_HfCd4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78706058 _cell_length_b 5.78706058 _cell_length_c 5.78706058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd4In _chemical_formula_sum 'Hf1 Cd4 In1' _cell_volume 137.04370407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.10926055 5.10926055 3.07487901 1 Cd Cd1 1 5.10926055 3.07487901 5.10926055 1 Cd Cd2 1 3.07487901 5.10926055 5.10926055 1 Cd Cd3 1 3.07487901 3.07487901 3.07487901 1 Hf Hf4 1 6.13810467 6.13810467 6.13810467 1 In In5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd4HfIn
F-43m
216
cubic
-43m
9,002.243693
false
[CIF] data_TaPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47858534 _cell_length_b 4.47858534 _cell_length_c 3.38146884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPtSe2 _chemical_formula_sum 'Ta1 Pt1 Se2' _cell_volume 67.82457766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 2.23929267 2.23929267 0.00000000 1 Se Se1 1 2.23929267 0.00000000 1.69073442 1 Se Se2 1 0.00000000 2.23929267 1.69073442 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSe2Ta
P4/mmm
123
tetragonal
4/mmm
13,072.664615
false
[CIF] data_BeSiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45749471 _cell_length_b 4.45749471 _cell_length_c 3.16454488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSiAs2 _chemical_formula_sum 'Be1 Si1 As2' _cell_volume 62.87716212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.22874735 0.00000000 1.58227244 1 As As1 1 0.00000000 2.22874735 1.58227244 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 2.22874735 2.22874735 0.00000000 1 [/CIF]
As2BeSi
P4/mmm
123
tetragonal
4/mmm
4,936.969596
false
[CIF] data_K2CaV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32966414 _cell_length_b 7.32966414 _cell_length_c 4.27642048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.62896086 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaV _chemical_formula_sum 'K2 Ca1 V1' _cell_volume 215.01534116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 K K1 1 2.08555231 3.01354703 2.13821024 1 K K2 1 2.08555231 -3.01354703 2.13821024 1 V V3 1 4.17110461 -0.00000000 0.00000000 1 [/CIF]
CaK2V
Cmmm
65
orthorhombic
mmm
1,306.836727
false
[CIF] data_LaZrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31074886 _cell_length_b 5.31074886 _cell_length_c 5.07810844 _cell_angle_alpha 98.28931336 _cell_angle_beta 98.28931336 _cell_angle_gamma 39.09522829 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrPt2 _chemical_formula_sum 'La1 Zr1 Pt2' _cell_volume 89.25493645 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 7.23156294 0.00000000 1.02756114 1 Pt Pt1 1 9.17210160 0.00000000 4.98739443 1 Pt Pt2 1 1.93692850 0.00000000 3.54039234 1 Zr Zr3 1 4.74045203 -0.00000000 2.99047236 1 [/CIF]
LaPt2Zr
Cm
8
monoclinic
m
11,540.293712
false
[CIF] data_SrMn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25183231 _cell_length_b 5.25183231 _cell_length_c 5.25183231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Br _chemical_formula_sum 'Sr1 Mn2 Br1' _cell_volume 102.42773147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.71360624 3.71360624 3.71360624 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.57040936 5.57040936 5.57040936 1 Sr Sr3 1 1.85680312 1.85680312 1.85680312 1 [/CIF]
BrMn2Sr
F-43m
216
cubic
-43m
4,497.157946
false
[CIF] data_ZrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79346751 _cell_length_b 4.79346751 _cell_length_c 2.99062878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGe2 _chemical_formula_sum 'Zr1 Ge2' _cell_volume 68.71666669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 2.39673376 1.49531439 1 Ge Ge1 1 2.39673376 0.00000000 1.49531439 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2Zr
P4/mmm
123
tetragonal
4/mmm
5,715.121969
false
[CIF] data_Li6P(ClO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31283380 _cell_length_b 6.31283380 _cell_length_c 6.31283380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6P(ClO2)2 _chemical_formula_sum 'Li6 P1 Cl2 O4' _cell_volume 177.89267610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 6.69577138 8.69728011 6.69577138 1 Li Li1 1 6.69577138 4.69426265 6.69577138 1 Li Li2 1 6.69577138 6.69577138 8.69728011 1 Li Li3 1 6.69577138 6.69577138 4.69426265 1 Li Li4 1 8.69728011 6.69577138 6.69577138 1 Li Li5 1 4.69426265 6.69577138 6.69577138 1 Cl Cl6 1 4.46384759 4.46384759 4.46384759 1 P P7 1 0.00000000 0.00000000 0.00000000 1 O O8 1 5.37161059 8.01993217 5.37161059 1 O O9 1 8.01993217 5.37161059 5.37161059 1 O O10 1 8.01993217 8.01993217 8.01993217 1 O O11 1 5.37161059 5.37161059 8.01993217 1 Cl Cl12 1 2.23192379 2.23192379 2.23192379 1 [/CIF]
Cl8Li24O16P4
F-43m
216
cubic
-43m
1,937.126685
false
[CIF] data_Sr2SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60745715 _cell_length_b 3.60745715 _cell_length_c 9.27982775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2SnGe _chemical_formula_sum 'Sr2 Sn1 Ge1' _cell_volume 120.76533137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 4.63991388 1 Sr Sr2 1 1.80372858 1.80372858 7.12280083 1 Sr Sr3 1 1.80372858 1.80372858 2.15702692 1 [/CIF]
GeSnSr2
P4/mmm
123
tetragonal
4/mmm
5,040.660341
false
[CIF] data_VInW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82455526 _cell_length_b 2.82455526 _cell_length_c 8.98675600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.52666845 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInW2 _chemical_formula_sum 'V1 In1 W2' _cell_volume 67.14521894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.60944720 0.00000000 4.42958381 1 V V1 1 0.00000000 0.00000000 2.10192440 1 W W2 1 1.60944720 0.00000000 0.07162894 1 W W3 1 0.00000000 0.00000000 6.87699694 1 [/CIF]
InVW2
Cmm2
35
orthorhombic
mm2
13,192.259157
false
[CIF] data_Li2TiFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35439888 _cell_length_b 5.35439888 _cell_length_c 5.35439888 _cell_angle_alpha 147.63029893 _cell_angle_beta 138.31171271 _cell_angle_gamma 53.74462369 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiFe _chemical_formula_sum 'Li2 Ti1 Fe1' _cell_volume 54.32487770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 -0.00000000 4.77620981 1 Li Li1 1 -0.00000000 1.90524020 2.22608336 1 Li Li2 1 1.49247008 -0.00000000 2.55012646 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeLi2Ti
Immm
71
orthorhombic
mmm
3,594.510785
false
[CIF] data_Mg2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51540061 _cell_length_b 5.51540061 _cell_length_c 5.10018775 _cell_angle_alpha 104.92711026 _cell_angle_beta 104.92711026 _cell_angle_gamma 31.86243364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TcBr _chemical_formula_sum 'Mg2 Tc1 Br1' _cell_volume 78.90548126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 8.14051009 0.00000000 1.20371874 1 Mg Mg1 1 0.08345467 -0.00000000 0.14893145 1 Mg Mg2 1 1.32851477 -0.00000000 3.31220496 1 Tc Tc3 1 4.30886646 -0.00000000 2.70582886 1 [/CIF]
BrMg2Tc
Cm
8
monoclinic
m
4,785.980905
false
[CIF] data_BaCrB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73627779 _cell_length_b 4.73627779 _cell_length_c 2.80150694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrB2 _chemical_formula_sum 'Ba1 Cr1 B2' _cell_volume 62.84432064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 2.36813890 1.40075347 1 B B1 1 2.36813890 0.00000000 1.40075347 1 Ba Ba2 1 2.36813890 2.36813890 0.00000000 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2BaCr
P4/mmm
123
tetragonal
4/mmm
5,573.815723
false
[CIF] data_ZnSiGeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89170725 _cell_length_b 4.89170725 _cell_length_c 4.89170725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSiGeTe _chemical_formula_sum 'Zn1 Si1 Ge1 Te1' _cell_volume 82.76874644 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 3.45895937 3.45895937 3.45895937 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.18843906 5.18843906 5.18843906 1 Zn Zn3 1 1.72947969 1.72947969 1.72947969 1 [/CIF]
GeSiTeZn
F-43m
216
cubic
-43m
5,892.43498
false
[CIF] data_PIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11372960 _cell_length_b 5.11372960 _cell_length_c 4.46562469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PIr5 _chemical_formula_sum 'P1 Ir5' _cell_volume 101.13194781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 2.55686480 1.47620658 0.00000000 1 Ir Ir1 1 0.00000000 2.95241316 0.00000000 1 Ir Ir2 1 -1.27843240 2.21430987 2.23281235 1 Ir Ir3 1 1.27843240 2.21430987 2.23281235 1 Ir Ir4 1 2.55686480 0.00000000 2.23281235 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir5P
P6/mmm
191
hexagonal
6/mmm
16,289.138758
false
[CIF] data_GaH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21734584 _cell_length_b 3.21734584 _cell_length_c 5.67298200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaH _chemical_formula_sum 'Ga2 H2' _cell_volume 50.85545343 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 1.85753549 0.09841489 1 Ga Ga1 1 1.60867292 0.92876774 2.93490589 1 H H2 1 -0.00000000 1.85753549 2.02895903 1 H H3 1 1.60867292 0.92876774 4.86545003 1 [/CIF]
Ga2H2
P6_3mc
186
hexagonal
6mm
4,619.032377
false
[CIF] data_Zr3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87253363 _cell_length_b 4.87253363 _cell_length_c 3.32206888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ru _chemical_formula_sum 'Zr3 Ru1' _cell_volume 78.87117729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 2.43626682 2.43626682 0.00000000 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 2.43626682 0.00000000 1.66103444 1 Zr Zr3 1 0.00000000 2.43626682 1.66103444 1 [/CIF]
RuZr3
P4/mmm
123
tetragonal
4/mmm
7,889.788687
false
[CIF] data_Zn2CdBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31983252 _cell_length_b 5.31983252 _cell_length_c 5.31983252 _cell_angle_alpha 128.73410859 _cell_angle_beta 128.73410859 _cell_angle_gamma 75.43878206 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CdBi _chemical_formula_sum 'Zn2 Cd1 Bi1' _cell_volume 89.14992308 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 -0.00000000 4.20807543 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 2.30138211 0.00000000 2.10403772 1 Zn Zn3 1 0.00000000 2.30138211 2.10403772 1 [/CIF]
BiCdZn2
I4/mmm
139
tetragonal
4/mmm
8,421.937314
false
[CIF] data_TlAgAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73540571 _cell_length_b 5.73540571 _cell_length_c 5.73540571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgAs4 _chemical_formula_sum 'Tl1 Ag1 As4' _cell_volume 133.40663663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 As As1 1 5.06983170 5.06983170 3.04125684 1 As As2 1 5.06983170 3.04125684 5.06983170 1 As As3 1 3.04125684 5.06983170 5.06983170 1 As As4 1 3.04125684 3.04125684 3.04125684 1 Tl Tl5 1 6.08331641 6.08331641 6.08331641 1 [/CIF]
AgAs4Tl
F-43m
216
cubic
-43m
7,616.913333
false
[CIF] data_Hf4TlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67063906 _cell_length_b 5.67063906 _cell_length_c 5.67063906 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4TlMo _chemical_formula_sum 'Hf4 Tl1 Mo1' _cell_volume 128.93802578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.98891145 2.98891145 5.03058321 1 Hf Hf1 1 2.98891145 5.03058321 2.98891145 1 Hf Hf2 1 5.03058321 2.98891145 2.98891145 1 Hf Hf3 1 5.03058321 5.03058321 5.03058321 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 2.00487366 2.00487366 2.00487366 1 [/CIF]
Hf4MoTl
F-43m
216
cubic
-43m
13,062.789234
false
[CIF] data_Er2MgRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97231508 _cell_length_b 4.97231508 _cell_length_c 4.97231508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2MgRe _chemical_formula_sum 'Er2 Mg1 Re1' _cell_volume 86.92824758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 5.27393657 5.27393657 5.27393657 1 Er Er1 1 1.75797886 1.75797886 1.75797886 1 Mg Mg2 1 -0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.51595771 3.51595771 3.51595771 1 [/CIF]
Er2MgRe
Fm-3m
225
cubic
m-3m
10,411.386778
false
[CIF] data_CaZrV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90276769 _cell_length_b 4.90276769 _cell_length_c 4.90276769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrV _chemical_formula_sum 'Ca1 Zr1 V1' _cell_volume 83.33145181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 3.46678028 3.46678028 3.46678028 1 Zr Zr2 1 5.20017042 5.20017042 5.20017042 1 [/CIF]
CaVZr
F-43m
216
cubic
-43m
3,631.551411
false
[CIF] data_ZnCrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85842330 _cell_length_b 4.34162062 _cell_length_c 4.62278475 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrPd2 _chemical_formula_sum 'Zn1 Cr1 Pd2' _cell_volume 57.36963495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 0.00000000 2.17081031 2.31139238 1 Pd Pd2 1 1.42921165 2.17081031 0.00000000 1 Zn Zn3 1 1.42921165 0.00000000 2.31139238 1 [/CIF]
CrPd2Zn
Pmmm
47
orthorhombic
mmm
9,557.961018
false
[CIF] data_SrTa2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04925907 _cell_length_b 3.81220456 _cell_length_c 7.80937362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Ga _chemical_formula_sum 'Sr1 Ta2 Ga1' _cell_volume 90.77927749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 3.45757502 1 Sr Sr1 1 1.52462954 1.90610228 5.70851584 1 Ta Ta2 1 0.00000000 0.00000000 0.53631943 1 Ta Ta3 1 1.52462954 1.90610228 2.01165005 1 [/CIF]
GaSrTa2
Pmm2
25
orthorhombic
mm2
9,497.941268
false
[CIF] data_Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48896938 _cell_length_b 2.48896938 _cell_length_c 2.48896938 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co _chemical_formula_sum Co1 _cell_volume 10.90294108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2
Fm-3m
225
cubic
m-3m
8,975.639938
false
[CIF] data_Ba2HgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19413961 _cell_length_b 4.19413961 _cell_length_c 9.73130292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.72711386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HgPb _chemical_formula_sum 'Ba2 Hg1 Pb1' _cell_volume 171.10370577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.63125785 1 Ba Ba1 1 2.92067057 0.00000000 6.48704417 1 Hg Hg2 1 0.00000000 0.00000000 4.59477325 1 Pb Pb3 1 2.92067057 0.00000000 2.88387911 1 [/CIF]
Ba2HgPb
Cmm2
35
orthorhombic
mm2
6,623.029686
false
[CIF] data_VGaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58124800 _cell_length_b 3.65364770 _cell_length_c 6.02634619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaSe2 _chemical_formula_sum 'V1 Ga1 Se2' _cell_volume 78.85244096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 1.82682385 3.01317309 1 Se Se1 1 1.79062400 1.82682385 0.00000000 1 Se Se2 1 1.79062400 0.00000000 3.01317309 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaSe2V
Pmmm
47
orthorhombic
mmm
5,866.659801
false
[CIF] data_Sc2MnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76969828 _cell_length_b 4.76969828 _cell_length_c 4.76969828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnSn _chemical_formula_sum 'Sc2 Mn1 Sn1' _cell_volume 76.72867972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 5.05902900 5.05902900 5.05902900 1 Mn Mn2 1 3.37268600 3.37268600 3.37268600 1 Sn Sn3 1 1.68634300 1.68634300 1.68634300 1 [/CIF]
MnSc2Sn
F-43m
216
cubic
-43m
5,703.883613
false
[CIF] data_Ta2NiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88158647 _cell_length_b 4.88158647 _cell_length_c 4.62833125 _cell_angle_alpha 103.31378087 _cell_angle_beta 103.31378087 _cell_angle_gamma 36.61059559 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NiSe _chemical_formula_sum 'Ta2 Ni1 Se1' _cell_volume 63.81130595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 4.13882973 -0.00000000 1.98235279 1 Se Se1 1 1.40228583 -0.00000000 3.61811895 1 Ta Ta2 1 8.10441080 -0.00000000 4.19200866 1 Ta Ta3 1 6.72067947 -0.00000000 1.43280673 1 [/CIF]
NiSeTa2
Cm
8
monoclinic
m
12,999.591271
false
[CIF] data_SrLiMgNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98501681 _cell_length_b 4.98501681 _cell_length_c 4.98501681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiMgNi _chemical_formula_sum 'Sr1 Li1 Mg1 Ni1' _cell_volume 87.59612271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 5.28740879 5.28740879 5.28740879 1 Ni Ni2 1 3.52493919 3.52493919 3.52493919 1 Sr Sr3 1 1.76246960 1.76246960 1.76246960 1 [/CIF]
LiMgNiSr
F-43m
216
cubic
-43m
3,365.951725
false
[CIF] data_As2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46386789 _cell_length_b 3.46386789 _cell_length_c 7.11495990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2PdBr _chemical_formula_sum 'As2 Pd1 Br1' _cell_volume 85.36799797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 7.00089357 1 As As1 1 1.73193394 1.73193394 1.15078272 1 Br Br2 1 0.00000000 0.00000000 3.91795833 1 Pd Pd3 1 1.73193394 1.73193394 5.71776513 1 [/CIF]
As2BrPd
P4mm
99
tetragonal
4mm
6,538.969893
false
[CIF] data_Na2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33777476 _cell_length_b 4.80702850 _cell_length_c 5.01139366 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.88146840 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GaTe _chemical_formula_sum 'Na2 Ga1 Te1' _cell_volume 104.36449452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.43946594 0.00000000 4.16478886 1 Na Na1 1 3.67328270 2.40351425 4.47165795 1 Na Na2 1 3.61682818 0.00000000 1.76818850 1 Te Te3 1 1.48505424 2.40351425 2.10800869 1 [/CIF]
GaNa2Te
Pm
6
monoclinic
m
3,871.17642
false
[CIF] data_Sc2InRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29591174 _cell_length_b 3.29591174 _cell_length_c 7.51597721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2InRu _chemical_formula_sum 'Sc2 In1 Ru1' _cell_volume 81.64631746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.64795587 1.64795587 4.04044970 1 Ru Ru1 1 0.00000000 0.00000000 5.67450830 1 Sc Sc2 1 1.64795587 1.64795587 7.09113314 1 Sc Sc3 1 0.00000000 0.00000000 1.98385196 1 [/CIF]
InRuSc2
P4mm
99
tetragonal
4mm
6,219.417729
false
[CIF] data_BaV2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38756422 _cell_length_b 3.64019249 _cell_length_c 7.21820613 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaV2Cu _chemical_formula_sum 'Ba1 V2 Cu1' _cell_volume 89.01048481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 3.60910307 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.69378211 1.82009625 0.94262474 1 V V3 1 1.69378211 1.82009625 6.27558139 1 [/CIF]
BaCuV2
Pmmm
47
orthorhombic
mmm
5,648.078052
false
[CIF] data_Li2MnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72996969 _cell_length_b 3.72996969 _cell_length_c 3.72996969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnB _chemical_formula_sum 'Li2 Mn1 B1' _cell_volume 36.69449458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.63748686 2.63748686 2.63748686 1 Li Li1 1 1.31874343 1.31874343 1.31874343 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 3.95623029 3.95623029 3.95623029 1 [/CIF]
BLi2Mn
F-43m
216
cubic
-43m
3,603.558185
false
[CIF] data_YNbCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58961040 _cell_length_b 4.58961040 _cell_length_c 4.58961040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCoTc _chemical_formula_sum 'Y1 Nb1 Co1 Tc1' _cell_volume 68.36163897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.86801696 4.86801696 4.86801696 1 Tc Tc2 1 3.24534464 3.24534464 3.24534464 1 Y Y3 1 1.62267232 1.62267232 1.62267232 1 [/CIF]
CoNbTcY
F-43m
216
cubic
-43m
8,250.311152
false
[CIF] data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27808705 _cell_length_b 8.59896646 _cell_length_c 8.59896646 _cell_angle_alpha 22.32722903 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn _chemical_formula_sum 'Mg3 Sn3' _cell_volume 148.26326569 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.63904352 0.00000000 11.25674849 1 Mg Mg1 1 0.00000000 0.00000000 14.99619608 1 Mg Mg2 1 0.00000000 -0.00000000 9.35873792 1 Sn Sn3 1 2.63904352 0.00000000 0.09347696 1 Sn Sn4 1 2.63904352 -0.00000000 5.60631756 1 Sn Sn5 1 0.00000000 -0.00000000 3.68191247 1 [/CIF]
Mg6Sn6
Amm2
38
orthorhombic
mm2
4,805.276482
false
[CIF] data_Li4NbCr(TeO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17460600 _cell_length_b 5.43509323 _cell_length_c 7.51726666 _cell_angle_alpha 93.82069088 _cell_angle_beta 90.12520489 _cell_angle_gamma 90.01650849 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4NbCr(TeO6)2 _chemical_formula_sum 'Li4 Nb1 Cr1 Te2 O12' _cell_volume 210.94870170 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 5.15805001 2.19807852 1.97694759 1 Li Li1 1 2.56762345 4.72502933 6.01697149 1 Li Li2 1 5.13722835 1.86419905 6.03916559 1 Li Li3 1 2.60091725 5.20402695 1.86260935 1 Nb Nb4 1 2.58614584 2.46080369 3.79801894 1 Cr Cr5 1 5.17093965 5.39255577 0.00296271 1 Te Te6 1 -0.00084668 5.16177523 3.75493584 1 Te Te7 1 2.59262720 2.71636918 0.01836132 1 O O8 1 1.58225899 0.80937523 3.23244065 1 O O9 1 0.64404298 -0.31457440 5.55154792 1 O O10 1 1.68124357 4.38900291 0.37449451 1 O O11 1 0.93224958 3.53882793 3.22604269 1 O O12 1 4.08769212 3.28842463 6.95745683 1 O O13 1 1.91610904 2.37698073 5.62309558 1 O O14 1 3.22280176 2.64914714 1.86773972 1 O O15 1 0.99094252 1.71759082 0.38717043 1 O O16 1 4.24743039 1.43955773 4.18740203 1 O O17 1 3.56778640 0.64694156 7.00336764 1 O O18 1 4.53678769 0.00696083 1.95079321 1 O O19 1 3.53260478 4.19714816 4.20736847 1 [/CIF]
CrLi4NbO12Te2
P1
1
triclinic
1
4,879.387936
false
[CIF] data_SiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24323937 _cell_length_b 5.24323937 _cell_length_c 5.24323937 _cell_angle_alpha 104.83941265 _cell_angle_beta 104.83941265 _cell_angle_gamma 119.19467227 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGe2 _chemical_formula_sum 'Si2 Ge4' _cell_volume 108.53035878 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.96512953 2.23257864 0.00000000 1 Ge Ge1 1 2.23257864 0.96512953 2.65346641 1 Ge Ge2 1 4.16283770 0.96512953 0.00000000 1 Ge Ge3 1 -0.96512953 2.23257864 2.65346641 1 Si Si4 1 0.00000000 -0.00000000 3.98019962 1 Si Si5 1 0.00000000 0.00000000 1.32673321 1 [/CIF]
Ge4Si2
I4/mcm
140
tetragonal
4/mmm
5,305.062819
false
[CIF] data_LiAlIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13561510 _cell_length_b 3.13561510 _cell_length_c 8.81635424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlIn2 _chemical_formula_sum 'Li1 Al1 In2' _cell_volume 86.68311832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.56780755 1.56780755 6.40202252 1 In In1 1 0.00000000 0.00000000 8.62819481 1 In In2 1 1.56780755 1.56780755 2.45565133 1 Li Li3 1 0.00000000 0.00000000 4.55501694 1 [/CIF]
AlIn2Li
P4mm
99
tetragonal
4mm
5,048.84063
false
[CIF] data_Na3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02829552 _cell_length_b 5.02829552 _cell_length_c 4.74565920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Br _chemical_formula_sum 'Na3 Br1' _cell_volume 119.98808850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.51414776 2.51414776 0.00000000 1 Na Na1 1 0.00000000 2.51414776 2.37282960 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 2.51414776 0.00000000 2.37282960 1 [/CIF]
BrNa3
P4/mmm
123
tetragonal
4/mmm
2,060.287373
false
[CIF] data_KCo4Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97054426 _cell_length_b 4.97054426 _cell_length_c 4.97054426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCo4Ru _chemical_formula_sum 'K1 Co4 Ru1' _cell_volume 86.83540560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.65029465 2.65029465 4.37911645 1 Co Co1 1 2.65029465 4.37911645 2.65029465 1 Co Co2 1 4.37911645 2.65029465 2.65029465 1 Co Co3 1 4.37911645 4.37911645 4.37911645 1 K K4 1 0.00000000 0.00000000 0.00000000 1 Ru Ru5 1 1.75735278 1.75735278 1.75735278 1 [/CIF]
Co4KRu
F-43m
216
cubic
-43m
7,188.29404
false
[CIF] data_SrCo2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18072360 _cell_length_b 4.18072360 _cell_length_c 6.14007033 _cell_angle_alpha 109.93334000 _cell_angle_beta 109.93334000 _cell_angle_gamma 58.77231628 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCo2W _chemical_formula_sum 'Sr1 Co2 W1' _cell_volume 84.45360119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.03607028 0.00000000 0.04078132 1 Co Co1 1 0.00905106 0.00000000 5.25620193 1 Sr Sr2 1 2.37944713 0.00000000 2.82242486 1 W W3 1 4.90018876 0.00000000 0.35642842 1 [/CIF]
Co2SrW
Cm
8
monoclinic
m
7,654.992459
false
[CIF] data_KCo2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70676325 _cell_length_b 3.70676325 _cell_length_c 6.89012112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCo2Br _chemical_formula_sum 'K1 Co2 Br1' _cell_volume 94.67091042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 3.44506056 1 Co Co1 1 1.85338162 1.85338162 4.51153466 1 Co Co2 1 1.85338162 1.85338162 2.37858646 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCo2K
P4/mmm
123
tetragonal
4/mmm
4,154.70509
false
[CIF] data_YFe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85719913 _cell_length_b 3.85719913 _cell_length_c 4.38607275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2Rh _chemical_formula_sum 'Y1 Fe2 Rh1' _cell_volume 65.25592515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 1.92859957 2.19303638 1 Fe Fe1 1 1.92859957 0.00000000 2.19303638 1 Rh Rh2 1 1.92859957 1.92859957 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2RhY
P4/mmm
123
tetragonal
4/mmm
7,723.066485
false
[CIF] data_InPAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55226668 _cell_length_b 5.55226668 _cell_length_c 5.55226668 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPAu4 _chemical_formula_sum 'In1 P1 Au4' _cell_volume 121.03081408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.94371509 4.90837575 4.90837575 1 Au Au1 1 4.90837575 4.90837575 2.94371509 1 Au Au2 1 4.90837575 2.94371509 4.90837575 1 Au Au3 1 2.94371509 2.94371509 2.94371509 1 In In4 1 5.88906813 5.88906813 5.88906813 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4InP
F-43m
216
cubic
-43m
12,809.759719
false
[CIF] data_NbAsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03291139 _cell_length_b 4.18760229 _cell_length_c 5.21990948 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAsW2 _chemical_formula_sum 'Nb1 As1 W2' _cell_volume 66.29612162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 2.63832119 1 Nb Nb1 1 1.51645570 2.09380115 3.88134810 1 W W2 1 0.00000000 0.00000000 0.06359755 1 W W3 1 1.51645570 2.09380115 1.24659738 1 [/CIF]
AsNbW2
Pmm2
25
orthorhombic
mm2
13,413.030801
false
[CIF] data_AlCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81236360 _cell_length_b 4.81236360 _cell_length_c 4.81236360 _cell_angle_alpha 135.77825301 _cell_angle_beta 135.77825301 _cell_angle_gamma 64.32334643 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCu2P _chemical_formula_sum 'Al1 Cu2 P1' _cell_volume 53.46715248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.81137410 0.00000000 2.03695184 1 Cu Cu2 1 -0.00000000 1.81137410 2.03695184 1 P P3 1 0.00000000 -0.00000000 4.07390368 1 [/CIF]
AlCu2P
I4/mmm
139
tetragonal
4/mmm
5,747.047627
false
[CIF] data_ScNb2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63553109 _cell_length_b 4.63553109 _cell_length_c 4.63553109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNb2Re _chemical_formula_sum 'Sc1 Nb2 Re1' _cell_volume 70.43418542 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 1.63890773 1.63890773 1.63890773 1 Nb Nb1 1 4.91672320 4.91672320 4.91672320 1 Re Re2 1 3.27781547 3.27781547 3.27781547 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2ReSc
Fm-3m
225
cubic
m-3m
9,830.68397
false
[CIF] data_ZrRe3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81583329 _cell_length_b 4.81583329 _cell_length_c 4.81583329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe3B _chemical_formula_sum 'Zr1 Re3 B1' _cell_volume 111.69001095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.40791665 0.00000000 2.40791665 1 Re Re1 1 2.40791665 2.40791665 0.00000000 1 Re Re2 1 0.00000000 2.40791665 2.40791665 1 B B3 1 0.00000000 0.00000000 0.00000000 1 Zr Zr4 1 2.40791665 2.40791665 2.40791665 1 [/CIF]
BRe3Zr
Pm-3m
221
cubic
m-3m
9,822.231086
false
[CIF] data_SrLaNbZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41919778 _cell_length_b 5.41919778 _cell_length_c 5.41919778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaNbZn _chemical_formula_sum 'Sr1 La1 Nb1 Zn1' _cell_volume 112.53561968 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 5.74792725 5.74792725 5.74792725 1 Nb Nb1 1 3.83195150 3.83195150 3.83195150 1 Sr Sr2 1 1.91597575 1.91597575 1.91597575 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaNbSrZn
F-43m
216
cubic
-43m
5,678.15872
false
[CIF] data_LiInP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99270164 _cell_length_b 8.61293764 _cell_length_c 7.14919305 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.14855713 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInP2O7 _chemical_formula_sum 'Li2 In2 P4 O14' _cell_volume 290.41874488 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.61404650 5.24348030 4.51314556 1 Li Li1 1 3.26167979 0.93701148 2.24049166 1 O O2 1 -0.13082171 6.79772184 3.34944686 1 O O3 1 2.77845499 2.49125302 3.40419036 1 O O4 1 2.66982448 5.04566524 3.35118855 1 O O5 1 -0.02219120 0.73919642 3.40244866 1 O O6 1 1.15195070 7.89465843 5.14941463 1 O O7 1 1.49568258 3.58818961 1.60422258 1 O O8 1 -1.76029636 0.58724800 5.84597194 1 O O9 1 4.40792964 4.89371682 0.90766527 1 O O10 1 -1.35100294 3.93135566 5.93638376 1 O O11 1 3.99863622 8.23782448 0.81725345 1 O O12 1 0.94321702 1.61918981 6.23729329 1 O O13 1 1.70441626 5.92565863 0.51634393 1 O O14 1 0.60375702 3.73318540 3.98913463 1 O O15 1 2.04387626 8.03965422 2.76450259 1 P P16 1 0.75013849 8.03554249 3.58683120 1 P P17 1 1.89749479 3.72907367 3.16680602 1 P P18 1 0.86635272 4.64396833 0.53525121 1 P P19 1 1.78128056 0.33749951 6.21838601 1 In In20 1 3.29388375 6.47368737 1.81088895 1 In In21 1 -0.64625047 2.16721855 4.94274827 1 [/CIF]
In2Li2O14P4
P2_1
4
monoclinic
2
3,381.498404
false
[CIF] data_Ba2CrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39269186 _cell_length_b 5.39269186 _cell_length_c 5.39269186 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CrRh _chemical_formula_sum 'Ba2 Cr1 Rh1' _cell_volume 110.89240872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.81320898 3.81320898 3.81320898 1 Ba Ba1 1 5.71981347 5.71981347 5.71981347 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.90660449 1.90660449 1.90660449 1 [/CIF]
Ba2CrRh
F-43m
216
cubic
-43m
6,432.305541
false
[CIF] data_TcAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06618174 _cell_length_b 4.06618174 _cell_length_c 3.90102511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcAgPt2 _chemical_formula_sum 'Tc1 Ag1 Pt2' _cell_volume 64.49890138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.03309087 2.03309087 0.00000000 1 Pt Pt1 1 2.03309087 0.00000000 1.95051255 1 Pt Pt2 1 0.00000000 2.03309087 1.95051255 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPt2Tc
P4/mmm
123
tetragonal
4/mmm
15,368.419532
false
[CIF] data_YTaRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76303761 _cell_length_b 4.76303761 _cell_length_c 4.76303761 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaRuAu _chemical_formula_sum 'Y1 Ta1 Ru1 Au1' _cell_volume 76.40768355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.68398810 1.68398810 1.68398810 1 Ru Ru1 1 5.05196429 5.05196429 5.05196429 1 Ta Ta2 1 3.36797619 3.36797619 3.36797619 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRuTaY
F-43m
216
cubic
-43m
12,341.743437
false
[CIF] data_AgSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55616942 _cell_length_b 3.55616942 _cell_length_c 7.02545335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbSe2 _chemical_formula_sum 'Ag1 Sb1 Se2' _cell_volume 88.84627810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 0.00000000 0.00000000 3.51272668 1 Se Se2 1 1.77808471 1.77808471 5.27730059 1 Se Se3 1 1.77808471 1.77808471 1.74815276 1 [/CIF]
AgSbSe2
P4/mmm
123
tetragonal
4/mmm
7,243.286983
false
[CIF] data_KZnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23677078 _cell_length_b 6.23677078 _cell_length_c 6.23677078 _cell_angle_alpha 136.79736275 _cell_angle_beta 136.79736275 _cell_angle_gamma 62.74997933 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnSb2 _chemical_formula_sum 'K1 Zn1 Sb2' _cell_volume 112.28569439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.29604191 -0.00000000 2.66240929 1 Sb Sb2 1 0.00000000 2.29604191 2.66240929 1 Zn Zn3 1 0.00000000 -0.00000000 5.32481858 1 [/CIF]
KSb2Zn
I4/mmm
139
tetragonal
4/mmm
5,146.379291
false
[CIF] data_HfNbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50442842 _cell_length_b 4.50442842 _cell_length_c 4.50442842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNbW _chemical_formula_sum 'Hf1 Nb1 W1' _cell_volume 64.62552310 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.18511188 3.18511188 3.18511188 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.59255594 1.59255594 1.59255594 1 [/CIF]
HfNbW
F-43m
216
cubic
-43m
11,697.201929
false
[CIF] data_NaNb3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91990705 _cell_length_b 4.91990705 _cell_length_c 4.91990705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb3Mo _chemical_formula_sum 'Na1 Nb3 Mo1' _cell_volume 119.08873817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.45995352 2.45995352 2.45995352 1 Nb Nb2 1 2.45995352 0.00000000 2.45995352 1 Nb Nb3 1 2.45995352 2.45995352 0.00000000 1 Nb Nb4 1 0.00000000 2.45995352 2.45995352 1 [/CIF]
MoNaNb3
Pm-3m
221
cubic
m-3m
5,544.980739
false
[CIF] data_Ca3TaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49531669 _cell_length_b 5.49531669 _cell_length_c 5.49531669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3TaAu _chemical_formula_sum 'Ca3 Ta1 Au1' _cell_volume 165.95035142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 2.74765835 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 2.74765835 1 Ca Ca2 1 2.74765835 0.00000000 0.00000000 1 Au Au3 1 2.74765835 2.74765835 2.74765835 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa3Ta
Pm-3m
221
cubic
m-3m
4,984.593003
false
[CIF] data_CdReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34143967 _cell_length_b 5.34143967 _cell_length_c 5.34143967 _cell_angle_alpha 145.11395205 _cell_angle_beta 129.53783047 _cell_angle_gamma 62.81411944 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdReMo2 _chemical_formula_sum 'Cd1 Re1 Mo2' _cell_volume 66.47927580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 2.27689616 2.11624274 1 Mo Mo2 1 1.60113530 0.00000000 2.44260441 1 Re Re3 1 0.00000000 -0.00000000 4.55884715 1 [/CIF]
CdMo2Re
Immm
71
orthorhombic
mmm
12,252.803642
false
[CIF] data_BaYCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97356101 _cell_length_b 4.97356101 _cell_length_c 4.97356101 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYCo2 _chemical_formula_sum 'Ba1 Y1 Co2' _cell_volume 86.99360955 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.51683872 3.51683872 3.51683872 1 Co Co1 1 5.27525807 5.27525807 5.27525807 1 Co Co2 1 1.75841936 1.75841936 1.75841936 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo2Y
Fm-3m
225
cubic
m-3m
6,568.22262
false
[CIF] data_KSrMgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55740152 _cell_length_b 5.55740152 _cell_length_c 5.55740152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrMgW _chemical_formula_sum 'K1 Sr1 Mg1 W1' _cell_volume 121.36691939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 1.96483815 1.96483815 1.96483815 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.92967630 3.92967630 3.92967630 1 W W3 1 5.89451445 5.89451445 5.89451445 1 [/CIF]
KMgSrW
F-43m
216
cubic
-43m
4,581.59105
false
[CIF] data_SrCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24024816 _cell_length_b 5.24024816 _cell_length_c 5.65382669 _cell_angle_alpha 102.56617532 _cell_angle_beta 102.56617532 _cell_angle_gamma 34.46814901 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2Ag _chemical_formula_sum 'Sr1 Cr2 Ag1' _cell_volume 85.55630625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.36101790 -0.00000000 2.75259161 1 Cr Cr1 1 7.22028831 0.00000000 2.12816383 1 Cr Cr2 1 1.50174749 0.00000000 3.37701938 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCr2Sr
C2/m
12
monoclinic
2/m
5,812.53359
false
[CIF] data_KSiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48474584 _cell_length_b 3.48474584 _cell_length_c 8.01018495 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSiCl2 _chemical_formula_sum 'K1 Si1 Cl2' _cell_volume 97.27130902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 1.74237292 1.74237292 2.01823114 1 Cl Cl1 1 1.74237292 1.74237292 5.99195381 1 K K2 1 0.00000000 0.00000000 4.00509247 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2KSi
P4/mmm
123
tetragonal
4/mmm
2,357.36015
false
[CIF] data_ScBe2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89079036 _cell_length_b 2.89079036 _cell_length_c 6.39638786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBe2Zn _chemical_formula_sum 'Sc1 Be2 Zn1' _cell_volume 53.45249554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.44539518 1.44539518 4.52465286 1 Be Be1 1 1.44539518 1.44539518 1.87173500 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 3.19819393 1 [/CIF]
Be2ScZn
P4/mmm
123
tetragonal
4/mmm
3,987.601528
false
[CIF] data_ZnSb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33122700 _cell_length_b 6.33122700 _cell_length_c 4.36022911 _cell_angle_alpha 108.91848829 _cell_angle_beta 108.91848829 _cell_angle_gamma 34.57598259 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSb2P _chemical_formula_sum 'Zn1 Sb2 P1' _cell_volume 93.29259369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 7.87929721 0.00000000 2.86739430 1 Sb Sb1 1 10.54015467 -0.00000000 4.03192489 1 Sb Sb2 1 2.62467063 0.00000000 1.27944583 1 Zn Zn3 1 5.48045445 0.00000000 2.07413143 1 [/CIF]
PSb2Zn
Cm
8
monoclinic
m
6,049.501222
false
[CIF] data_TiBi3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31275543 _cell_length_b 5.31275543 _cell_length_c 5.31275543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBi3F _chemical_formula_sum 'Ti1 Bi3 F1' _cell_volume 149.95448911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 2.65637772 0.00000000 2.65637772 1 Bi Bi2 1 2.65637772 2.65637772 0.00000000 1 Bi Bi3 1 0.00000000 2.65637772 2.65637772 1 Ti Ti4 1 2.65637772 2.65637772 2.65637772 1 [/CIF]
Bi3FTi
Pm-3m
221
cubic
m-3m
7,682.950848
false
[CIF] data_GePbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56870368 _cell_length_b 4.66263877 _cell_length_c 5.91641154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePbCl2 _chemical_formula_sum 'Ge1 Pb1 Cl2' _cell_volume 98.44658028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Cl Cl1 1 1.78435184 0.00000000 2.95820577 1 Ge Ge2 1 1.78435184 2.33131939 0.00000000 1 Pb Pb3 1 0.00000000 2.33131939 2.95820577 1 [/CIF]
Cl2GePb
Pmmm
47
orthorhombic
mmm
5,916.177421
false
[CIF] data_TaTlSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13291280 _cell_length_b 4.58459311 _cell_length_c 8.56669108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTlSb2 _chemical_formula_sum 'Ta1 Tl1 Sb2' _cell_volume 123.04450140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.09681166 1 Sb Sb1 1 1.56645640 2.29229655 3.27143471 1 Ta Ta2 1 0.00000000 0.00000000 2.78254256 1 Tl Tl3 1 1.56645640 2.29229655 6.69924760 1 [/CIF]
Sb2TaTl
Pmm2
25
orthorhombic
mm2
8,486.620203
false
[CIF] data_AlPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91173105 _cell_length_b 2.91173105 _cell_length_c 6.92282336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlPd2Rh _chemical_formula_sum 'Al1 Pd2 Rh1' _cell_volume 58.69292668 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 5.14988684 1 Pd Pd1 1 1.45586553 1.45586553 6.71459896 1 Pd Pd2 1 0.00000000 0.00000000 1.76573214 1 Rh Rh3 1 1.45586553 1.45586553 3.67684046 1 [/CIF]
AlPd2Rh
P4mm
99
tetragonal
4mm
9,696.537354
false
[CIF] data_LiSnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15591978 _cell_length_b 5.15591978 _cell_length_c 5.15591978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSnTe _chemical_formula_sum 'Li1 Sn1 Te1' _cell_volume 96.91777990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 3.64578584 3.64578584 3.64578584 1 Te Te2 1 1.82289292 1.82289292 1.82289292 1 [/CIF]
LiSnTe
F-43m
216
cubic
-43m
4,339.071526
false
[CIF] data_AlSnIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00900500 _cell_length_b 3.00900500 _cell_length_c 6.96144359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnIr2 _chemical_formula_sum 'Al1 Sn1 Ir2' _cell_volume 63.02968361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.50450250 1.50450250 1.54710398 1 Ir Ir2 1 1.50450250 1.50450250 5.41433961 1 Sn Sn3 1 0.00000000 0.00000000 3.48072180 1 [/CIF]
AlIr2Sn
P4/mmm
123
tetragonal
4/mmm
13,966.342787
false
[CIF] data_AlFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65874105 _cell_length_b 4.65874105 _cell_length_c 4.65874105 _cell_angle_alpha 106.33761091 _cell_angle_beta 106.33761091 _cell_angle_gamma 115.93852906 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe2 _chemical_formula_sum 'Al2 Fe4' _cell_volume 77.08460766 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 -0.00000000 3.70631346 1 Al Al1 1 0.00000000 0.00000000 1.23543782 1 Fe Fe2 1 0.82288633 1.96984009 0.00000000 1 Fe Fe3 1 1.96984009 0.82288633 2.47087564 1 Fe Fe4 1 3.61561275 0.82288633 0.00000000 1 Fe Fe5 1 -0.82288633 1.96984009 2.47087564 1 [/CIF]
Al2Fe4
I4/mcm
140
tetragonal
4/mmm
5,974.46142
false
[CIF] data_LaPdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73890268 _cell_length_b 4.73890268 _cell_length_c 4.73890268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPdCl _chemical_formula_sum 'La1 Pd1 Cl1' _cell_volume 75.25205632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.67545511 1.67545511 1.67545511 1 Pd Pd2 1 5.02636533 5.02636533 5.02636533 1 [/CIF]
ClLaPd
F-43m
216
cubic
-43m
6,195.759177
false
[CIF] data_KSr2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21800142 _cell_length_b 4.21800142 _cell_length_c 10.28816404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr2Mn _chemical_formula_sum 'K1 Sr2 Mn1' _cell_volume 183.04224068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 5.67271834 1 Mn Mn1 1 2.10900071 2.10900071 8.13209912 1 Sr Sr2 1 0.00000000 0.00000000 9.66652549 1 Sr Sr3 1 2.10900071 2.10900071 2.24906715 1 [/CIF]
KMnSr2
P4mm
99
tetragonal
4mm
2,442.845372
false
[CIF] data_V2ZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30759450 _cell_length_b 4.30759450 _cell_length_c 4.30759450 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2ZnIr _chemical_formula_sum 'V2 Zn1 Ir1' _cell_volume 56.51834587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.04592928 3.04592928 3.04592928 1 V V1 1 4.56889392 4.56889392 4.56889392 1 V V2 1 1.52296464 1.52296464 1.52296464 1 Zn Zn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
IrV2Zn
Fm-3m
225
cubic
m-3m
10,561.713625
false
[CIF] data_Na2MoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00288467 _cell_length_b 6.00288467 _cell_length_c 2.61393379 _cell_angle_alpha 98.20341079 _cell_angle_beta 98.20341079 _cell_angle_gamma 127.69159883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MoRu _chemical_formula_sum 'Na2 Mo1 Ru1' _cell_volume 70.52219475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 0.89992234 2.69412766 1.23659481 1 Na Na2 1 0.89992234 -2.69412766 1.23659481 1 Ru Ru3 1 2.64600246 -0.00000000 0.00000000 1 [/CIF]
MoNa2Ru
C2/m
12
monoclinic
2/m
5,721.983466
false
[CIF] data_CaLaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40183263 _cell_length_b 3.40183263 _cell_length_c 7.92227839 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.23218294 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaNi2 _chemical_formula_sum 'Ca1 La1 Ni2' _cell_volume 91.53445098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 4.66830997 1 La La1 1 2.33666245 0.00000000 1.18833201 1 Ni Ni2 1 0.00000000 0.00000000 7.42735892 1 Ni Ni3 1 2.33666245 0.00000000 6.52169507 1 [/CIF]
CaLaNi2
Cmm2
35
orthorhombic
mm2
5,376.493837
false
[CIF] data_CaMgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43878376 _cell_length_b 4.43878376 _cell_length_c 4.33986485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgAs _chemical_formula_sum 'Ca1 Mg1 As1' _cell_volume 74.05166265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.21939190 1.28136649 3.69208148 1 Ca Ca1 1 0.00000002 2.56273299 1.42906503 1 Mg Mg2 1 0.00000000 0.00000000 3.55858320 1 [/CIF]
AsCaMg
P3m1
156
trigonal
3m
3,123.774973
false
[CIF] data_TaB2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02793499 _cell_length_b 4.02793499 _cell_length_c 4.02793499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB2Pt _chemical_formula_sum 'Ta1 B2 Pt1' _cell_volume 46.20961606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.42409007 1.42409007 1.42409007 1 B B1 1 4.27227022 4.27227022 4.27227022 1 Pt Pt2 1 2.84818015 2.84818015 2.84818015 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2PtTa
Fm-3m
225
cubic
m-3m
14,289.673453
false
[CIF] data_GeOs2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45183139 _cell_length_b 4.45183139 _cell_length_c 3.10956352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeOs2Br _chemical_formula_sum 'Ge1 Os2 Br1' _cell_volume 61.62782609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.22591570 2.22591570 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.22591570 1.55478176 1 Os Os3 1 2.22591570 0.00000000 1.55478176 1 [/CIF]
BrGeOs2
P4/mmm
123
tetragonal
4/mmm
14,361.822914
false
[CIF] data_InMo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57708115 _cell_length_b 4.57708115 _cell_length_c 4.57708115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMo2Pd _chemical_formula_sum 'In1 Mo2 Pd1' _cell_volume 67.80330126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.61824256 1.61824256 1.61824256 1 Mo Mo1 1 4.85472768 4.85472768 4.85472768 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.23648512 3.23648512 3.23648512 1 [/CIF]
InMo2Pd
F-43m
216
cubic
-43m
10,118.460119
false
[CIF] data_CsCd2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73594131 _cell_length_b 5.73594131 _cell_length_c 5.73594131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCd2Bi _chemical_formula_sum 'Cs1 Cd2 Bi1' _cell_volume 133.44401495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 4.05592300 4.05592300 4.05592300 1 Cd Cd1 1 6.08388450 6.08388450 6.08388450 1 Cd Cd2 1 2.02796150 2.02796150 2.02796150 1 Cs Cs3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCd2Cs
Fm-3m
225
cubic
m-3m
7,051.950046
false
[CIF] data_Na2PdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69797062 _cell_length_b 4.56812068 _cell_length_c 5.88252090 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.34535340 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2PdRu _chemical_formula_sum 'Na2 Pd1 Ru1' _cell_volume 72.05589191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.11346239 2.28406034 0.01193063 1 Na Na1 1 1.65815924 0.00000000 1.43207018 1 Pd Pd2 1 1.27719267 2.28406034 3.26554260 1 Ru Ru3 1 0.02292795 0.00000000 4.06018153 1 [/CIF]
Na2PdRu
Pm
6
monoclinic
m
5,841.244343
false
[CIF] data_LiHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41879482 _cell_length_b 4.41879482 _cell_length_c 4.41879482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHgOs2 _chemical_formula_sum 'Li1 Hg1 Os2' _cell_volume 61.00936574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 4.68683967 4.68683967 4.68683967 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.56227989 1.56227989 1.56227989 1 Os Os3 1 3.12455978 3.12455978 3.12455978 1 [/CIF]
HgLiOs2
F-43m
216
cubic
-43m
16,003.805554
false
[CIF] data_BaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25197816 _cell_length_b 5.25197816 _cell_length_c 5.25197816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNi _chemical_formula_sum 'Ba2 Ni2' _cell_volume 102.43626522 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.71370937 3.71370937 3.71370937 1 Ba Ba1 1 5.57056406 5.57056406 5.57056406 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 1.85685469 1.85685469 1.85685469 1 [/CIF]
Ba2Ni2
Fd-3m
227
cubic
m-3m
6,355.162038
false
[CIF] data_MnAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25422863 _cell_length_b 4.25422863 _cell_length_c 3.24277479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlGe2 _chemical_formula_sum 'Mn1 Al1 Ge2' _cell_volume 58.68923383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 2.12711432 1.62138739 1 Ge Ge2 1 2.12711432 0.00000000 1.62138739 1 Mn Mn3 1 2.12711432 2.12711432 0.00000000 1 [/CIF]
AlGe2Mn
P4/mmm
123
tetragonal
4/mmm
6,428.330374
false